Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085139
Preview
Coordinates | 4085139.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C93 H80 Au B F24 N4 |
---|---|
Calculated formula | C93 H80 Au B F24 N4 |
SMILES | [Au](=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C1c2ccccc2C=Cc2ccccc12)=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C1c2ccccc2C=Cc2ccccc12.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.CCCCC |
Title of publication | Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs) |
Authors of publication | Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 1 |
Pages of publication | 263 |
a | 11.9317 ± 0.0006 Å |
b | 19.8245 ± 0.0009 Å |
c | 18.3093 ± 0.001 Å |
α | 90° |
β | 105.436 ± 0.0014° |
γ | 90° |
Cell volume | 4174.7 ± 0.4 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0255 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.054 |
Weighted residual factors for all reflections included in the refinement | 0.0544 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4085139.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.